5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide

C13H17FN2O2 — CID 114217968

IUPAC5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(F)ccc2O)CCNC1
InChIInChI=1S/C13H17FN2O2/c1-13(4-5-15-7-13)8-16-12(18)10-6-9(14)2-3-11(10)17/h2-3,6,15,17H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyPECDVCDNPFVVFR-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.26
Rot. Bonds3

About 5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide

5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 114217968) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide
PubChem CID114217968
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(F)ccc2O)CCNC1
InChIInChI=1S/C13H17FN2O2/c1-13(4-5-15-7-13)8-16-12(18)10-6-9(14)2-3-11(10)17/h2-3,6,15,17H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyPECDVCDNPFVVFR-UHFFFAOYSA-N
XLogP1.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-hydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103739179
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 107677215
2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 114345124
5-fluoro-2-hydroxy-N-(1-methylcyclopropyl)benzamide
CID 115883770
4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103820345
5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162857
2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 114217953
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 112835530
N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
CID 106142770
2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 107721880

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide (CID 114217968) is 5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide is CC1(CNC(=O)c2cc(F)ccc2O)CCNC1.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is PECDVCDNPFVVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-13(4-5-15-7-13)8-16-12(18)10-6-9(14)2-3-11(10)17/h2-3,6,15,17H,4-5,7-8H2,1H3,(H,16,18).
What are the key properties of 5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide?
5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 114217968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).